4-(diphenylmethyl)piperazin-1-amine

• ChemBase ID: 232424
• Molecular Formular: C17H21N3
• Molecular Mass: 267.36874
• Monoisotopic Mass: 267.17354769
• SMILES: N1(C(c2ccccc2)c2ccccc2)CCN(CC1)N
• Canonical SMILES: NN1CCN(CC1)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C17H21N3/c18-20-13-11-19(12-14-20)17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17H,11-14,18H2
• InChIKey: QEMWWFHROBPSSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(diphenylmethyl)piperazin-1-amine
• IUPAC Traditional name: 4-(diphenylmethyl)piperazin-1-amine
• Synonyms: 4-Benzhydryl-piperazin-1-ylamine

Database IDs

• CAS Number: 1698-31-3
• MDL Number: MFCD02271428
• PubChem SID: 164288334
• PubChem CID: 2524923

CALCULATED PROPERTIES

• H Donor: 1
• LogD (pH = 5.5): 0.19080354
• LogD (pH = 7.4): 1.9269174
• Log P: 2.4878128
• Molar Refractivity: 84.123 cm^3
• Polarizability: 32.848774 Å^3
• Polar Surface Area: 32.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 3

PROPERTIES

Physical Property

• Melting Point: 108 - 110°C
• Hydrophobicity(logP): 2.411

Product Information

• Purity: 95%